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PUBCHEM-ZINC01051725

 MMsINC code: MMs02761379
Type: Neutral
Formula: C24H21FN2O4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)C)c1ccc(NC(=O)c2oc3c(cc(F)cc3)c2C)cc1
InChI:   InChI=1/C24H21FN2O4S/c1-16-21-14-18(25)8-13-22(21)31-23(16)24(28)26-19-9-11-20(12-10-19)32(29,30)27(2)15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=79.4709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.506 g/mol  logS: -7.09003  SlogP: 5.21972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303946  Sterimol/B1: 2.14309  Sterimol/B2: 3.69912  Sterimol/B3: 4.00681
  Sterimol/B4: 6.88391  Sterimol/L: 22.8342 
 
 Surface and Volume Properties
  Accessible surface: 710.302  Positive charged surface: 397.249  Negative charged surface: 307.387  Volume: 408.625
  Hydrophobic surface: 614.633  Hydrophilic surface: 95.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.